sodium (2H4)boranuide

• ChemBase ID: 106254
• Molecular Formular: BNa
• Molecular Mass: 33.80077
• Monoisotopic Mass: 33.99907468
• SMILES: [BH3-].[Na+]
• Canonical SMILES: [BH3-].[Na+]
• InChI: InChI=1S/BH4.Na/h1H4;/q-1;+1
• InChIKey: YOQDYZUWIQVZSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (^2H₄)boranuide; sodium boranuide
• IUPAC Traditional name: sodium (^2H₄)boranuide; sodium boranuide
• Synonyms: Sodium tetrahydridoborate, deuterated; SODIUM BORODEUTERIDE; SODIUM BORODEUTERIDE-D4; Sodium tetradeuterioboron; Sodium borodeuteride; Sodium Borodeuteride; Sodium Tetrahydro-d4-borate; Sodium tetradeuterioborate; Sodium tetradeuteroborate; Sodium tetrahydroborate-d4; Sodium Borohydride-d4; 硼氘化钠

Database IDs

• CAS Number: 15681-89-7
• EC Number: 239-764-7
• MDL Number: MFCD00003519
• PubChem SID: 24852210; 162093140
• PubChem CID: 23673181

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.804
• LogD (pH = 7.4): -1.804
• Log P: -1.804
• Molar Refractivity: 3.2 cm^3
• Polarizability: 3.2773068 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder; White Solid
• Melting Point: ^=400°C dec.; >300 °C (dec.)(lit.)
• Auto Ignition Point: 752 °F
• Density: 1.184 g/mL; 1.187 g/mL
• Mass Shift: M+4

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1426; UN1426
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1; I
• Risk Statements: 11-15-24/25-34; 15-23/24/25-34
• Safety Statements: 7/8-16-36/37/39-43-45; 7/8-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H301-H311-H314; H301-H311-H331-H314-H318-H261
• GHS Precautionary statements: P223-P231 + P232-P280-P301 + P310-P370 + P378-P422; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1426 4.3/PG 1

Product Information

• Purity: 90% (CP); 98%; 99% (Isotopic)
• Isotopic Purity: 96 atom % D; 98 atom % D
• Mol. Weight: mol wt 41.696 (atom %calacualtion); mol wt 41.817 (atom % calculation)
• Linear Formula: NaBD4

DETAILS

MP Biomedicals - 02521667

Purity: 98% D atom.

MP Biomedicals - 05222426

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 205591

Application
Reagent used to prepare α,α-dideutero-β-amino acids.1 Also used to prepare amine-stabilized, deuterated borane-THF.2
Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 388564

Packaging
Packaged in screw-cap bottles

Toronto Research Chemicals - S614902

Labelled Sodium Borohydride used as a reagent used to prepare α,α-dideutero-β-amino acids. Sodium Borohydride-d4 is also used to prepare amine-stabilized, deuterated borane-THF.

REFERENCES

• Todd, R.C. et al.: Tetrahedron Lett., 48, 2335 (2007)
• Synthesis, 4013, (2007)